B5KLT4 -OEChem-04022105333D 79 81 0 0 0 0 0 0 0999 V2000 -10.5043 1.7753 1.6597 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0014 2.2668 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2281 -3.8880 0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2175 -0.3829 -1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -2.3823 1.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 -2.0484 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 -1.4877 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6612 -2.1687 -1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4662 -0.1883 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3383 -0.8467 -2.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -3.3944 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8964 0.8535 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -3.3021 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 1.1002 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8904 -0.4332 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2689 3.0467 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4464 -0.0553 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 1.6187 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0578 1.2839 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0345 1.8291 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3618 0.5994 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4813 -1.0599 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 0.6140 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 -0.7252 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0697 -1.9816 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 0.1680 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6702 0.0399 -1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 3.1638 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 3.7520 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 3.9353 1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 -2.7546 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -1.7867 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -1.6024 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1748 2.0574 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5022 0.8277 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4087 1.5566 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -1.3329 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 -1.2699 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5619 -2.2253 0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 -2.9551 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 -2.4680 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 0.5985 0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 0.1043 1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -1.0121 -3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 -0.0924 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -4.1278 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -3.7785 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2239 1.7216 -1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2212 0.7966 -2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0457 -2.9998 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 -4.2951 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -1.4143 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0849 2.2422 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4484 0.0278 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 -2.1169 0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 0.8359 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6203 -2.4791 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 -2.4181 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.2426 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1691 -0.0893 2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 1.2567 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -0.2312 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 1.1295 -1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 -0.3346 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1793 -0.3291 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 2.7585 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.6909 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 4.2182 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 3.1766 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8229 3.9186 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2876 4.7431 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 4.9343 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4991 3.4892 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8703 4.1000 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 -2.7744 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 -0.6465 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1032 2.6283 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4629 0.4375 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6692 3.1617 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 19 1 0 0 0 0 2 79 1 0 0 0 0 3 31 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 20 34 1 0 0 0 0 20 53 1 0 0 0 0 21 35 2 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 32 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 34 36 2 0 0 0 0 34 77 1 0 0 0 0 35 36 1 0 0 0 0 35 78 1 0 0 0 0 M END $$$$